methyl 4-[[2-(cyanomethylsulfanyl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(cyanomethylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(cyanomethylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(cyanomethylthio)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(cyanomethylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(cyanomethylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCC#N

InChI

InChI=1S/C13H14N2O3S/c1-18-13(17)11-4-2-10(3-5-11)8-15-12(16)9-19-7-6-14/h2-5H,7-9H2,1H3,(H,15,16)